1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone

C16H12F3NO — CID 116554439

IUPAC1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F3NO/c17-12-5-4-11(14(18)15(12)19)16(21)10-3-6-13-9(8-10)2-1-7-20-13/h3-6,8,20H,1-2,7H2
InChIKeyYHNAMSVQMSQPQF-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.69
Rot. Bonds2

About 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone

1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone (PubChem CID 116554439) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
PubChem CID116554439
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F3NO/c17-12-5-4-11(14(18)15(12)19)16(21)10-3-6-13-9(8-10)2-1-7-20-13/h3-6,8,20H,1-2,7H2
InChIKeyYHNAMSVQMSQPQF-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 102652415
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone (CID 116554439) is 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc2c(c1)CCCN2)c1ccc(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone?
The InChIKey is YHNAMSVQMSQPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-12-5-4-11(14(18)15(12)19)16(21)10-3-6-13-9(8-10)2-1-7-20-13/h3-6,8,20H,1-2,7H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone?
1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone has a molecular weight of 291.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 116554439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).